ethyl 4-[(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(2,4-dichlorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(2,4-dichlorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclobutanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-6-(2,4-dichlorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-(2,4-dichlorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclobutanecarbonyl)-3-methyl-piperazino]methyl]-6-(2,4-dichlorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H34Cl2N4O4 MolecularWeight: 549.48926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CC=C)CN3CCN(C(C3)C)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)Cl)Cl)CC=C)CN3CCN(C(C3)C)C(=O)C4CCC4

InChI

InChI=1S/C27H34Cl2N4O4/c1-4-11-33-22(16-31-12-13-32(17(3)15-31)25(34)18-7-6-8-18)23(26(35)37-5-2)24(30-27(33)36)20-10-9-19(28)14-21(20)29/h4,9-10,14,17-18,24H,1,5-8,11-13,15-16H2,2-3H3,(H,30,36)